Paniculadiol diacetate
TL;DR: Paniculadiol diacetate (CAS 122297-37-4) is a chemical compound with molecular formula C24H34O6 and molecular weight 418.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,5R,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate
Also Known As: Paniculadiol diacetate, [(4aS,5R,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate, 2(5H)-Furanone, 4-(2-(4a,5-bis((acetyloxy)methyl)-1,2,3,4,4a,7,8,8a-octahydro-1,2-dimethyl-1-naphthalenyl)ethyl)-, (1S-(1alpha,2beta,4abeta,8aalpha))-, ((4aS,5R,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-(2-(5-oxo-2H-furan-3-yl)ethyl)-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl acetate, [(4aS,5R,6S,8aR)-5,6-Dimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-4,4a,5,6,7,8-hexahydronaphthalene-1,8a(3H)-diyl]bis(methylene) diacetate
| Molecular Formula | C24H34O6 |
|---|---|
| Molecular Weight | 418.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 418.23553 |
| Heavy Atoms | 30 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 122297-37-4 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H]([C@]1(C)CCC3=CC(=O)OC3)CCC=C2COC(=O)C)COC(=O)C |
| InChIKey | QFOVBSYLEHDSPP-KJVSTRANSA-N |
Product Overview
Paniculadiol diacetate (CAS 122297-37-4), with molecular formula C24H34O6 and molecular weight 418.24 g/mol. IUPAC: [(4aS,5R,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate.
Chemical Property Profile of Paniculadiol diacetate
Property Insights of Paniculadiol diacetate
The XLogP value of 3.6 indicates that Paniculadiol diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Paniculadiol diacetate. Following Lipinski's Rule of Five, Paniculadiol diacetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Paniculadiol diacetate?
The CAS number of Paniculadiol diacetate is 122297-37-4.
What is the molecular formula of Paniculadiol diacetate?
The molecular formula of Paniculadiol diacetate is C24H34O6.
What is the molecular weight of Paniculadiol diacetate?
The molecular weight of Paniculadiol diacetate is 418.24 g/mol.
Where can I buy Paniculadiol diacetate?
You can request a quote for Paniculadiol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paniculadiol diacetate?
Yes, KEHONG BIO provides custom synthesis services for Paniculadiol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.